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141363-27-1 | 1H-Imidazole-5-carbonitrile, 1-methyl-2-[(1-methyl-2-oxo-3-pyrrolidinylidene)methyl]-
CAS No: 141363-27-1 Catalog No: AG001GAA MDL No:
Product Description
Catalog Number:
AG001GAA
Chemical Name:
1H-Imidazole-5-carbonitrile, 1-methyl-2-[(1-methyl-2-oxo-3-pyrrolidinylidene)methyl]-
CAS Number:
141363-27-1
Molecular Formula:
C11H12N4O
Molecular Weight:
216.2392
IUPAC Name:
3-methyl-2-[(1-methyl-2-oxopyrrolidin-3-ylidene)methyl]imidazole-4-carbonitrile
InChI:
InChI=1S/C11H12N4O/c1-14-4-3-8(11(14)16)5-10-13-7-9(6-12)15(10)2/h5,7H,3-4H2,1-2H3
InChI Key:
UQNCYMPLTIPEHP-UHFFFAOYSA-N
SMILES:
Cn1c(C=C2CCN(C2=O)C)ncc1C#N
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.244g/mol
Monoisotopic Mass:
216.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0
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